(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

C21H22N4O6S — CID 55453944

IUPAC(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O6S/c1-29-17-7-6-14(12-18(17)32(27,28)25-8-10-30-11-9-25)21(26)31-13-19-23-16-5-3-2-4-15(16)20(22)24-19/h2-7,12H,8-11,13H2,1H3,(H2,22,23,24)
InChIKeyCOIAJVOFRQGJCQ-UHFFFAOYSA-N
MW458.50 g/mol
LogP1.60
Rot. Bonds6

About (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate

(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (PubChem CID 55453944) has the molecular formula C21H22N4O6S and a molecular weight of 458.50 g/mol. Its IUPAC name is (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.

Molecular Properties

Compound Name(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
PubChem CID55453944
Molecular FormulaC21H22N4O6S
Molecular Weight458.50 g/mol
Exact Mass458.13
IUPAC Name(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
SMILESCOc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H22N4O6S/c1-29-17-7-6-14(12-18(17)32(27,28)25-8-10-30-11-9-25)21(26)31-13-19-23-16-5-3-2-4-15(16)20(22)24-19/h2-7,12H,8-11,13H2,1H3,(H2,22,23,24)
InChIKeyCOIAJVOFRQGJCQ-UHFFFAOYSA-N
XLogP1.60
TPSA133.94 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-aminoquinazolin-2-yl)methyl 3-morpholin-4-ylsulfonylbenzoate
CID 55453230
(4-aminoquinazolin-2-yl)methyl 2-chloro-5-morpholin-4-ylsulfonylbenzoate
CID 55454232
(4-aminoquinazolin-2-yl)methyl 3-fluoro-4-methoxybenzoate
CID 17416373
(4-aminoquinazolin-2-yl)methyl 2-fluoro-5-morpholin-4-ylsulfonylbenzoate
CID 55453452
propyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 27000014
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 16569329
(4-aminoquinazolin-2-yl)methyl 4-methoxybenzoate
CID 9451944
[2-(1H-indol-3-yl)-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 2462470
[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 8873587
(4-aminoquinazolin-2-yl)methyl 4-chloro-3-(diethylsulfamoyl)benzoate
CID 27911696
(4-aminoquinazolin-2-yl)methyl 2,6-dimethoxybenzoate
CID 9451142
[2-[benzyl(2-phenylethyl)amino]-2-oxoethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 4565875

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The IUPAC name of (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate (CID 55453944) is (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate.
What is the SMILES notation for (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The canonical SMILES for (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is COc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
The InChIKey is COIAJVOFRQGJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O6S/c1-29-17-7-6-14(12-18(17)32(27,28)25-8-10-30-11-9-25)21(26)31-13-19-23-16-5-3-2-4-15(16)20(22)24-19/h2-7,12H,8-11,13H2,1H3,(H2,22,23,24).
What are the key properties of (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate?
(4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate has a molecular weight of 458.50 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-2-yl)methyl 4-methoxy-3-morpholin-4-ylsulfonylbenzoate is sourced from PubChem (CID 55453944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).